REMARK Name = BDB037354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.670 0.159 0.193 0.00 0.00 +0.153 A ATOM 2 C LIG 1 -1.358 -0.351 0.330 0.00 0.00 +0.044 A ATOM 3 C LIG 1 -0.036 0.319 0.452 0.00 0.00 +0.085 C ATOM 4 C LIG 1 1.023 -0.714 0.896 0.00 0.00 +0.172 C ATOM 5 C LIG 1 0.877 -2.070 0.159 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -0.420 -2.610 0.050 0.00 0.00 -0.254 N ATOM 7 O LIG 1 1.884 -2.667 -0.238 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.487 -1.724 0.255 0.00 0.00 +0.137 A ATOM 9 N LIG 1 -2.853 -1.968 0.361 0.00 0.00 -0.216 N ATOM 10 N LIG 1 -3.550 -0.835 0.105 0.00 0.00 -0.149 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 0.244 1.028 -0.869 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.627 2.384 -0.831 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.916 3.082 -2.005 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.831 2.430 -3.226 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.109 3.098 -4.353 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.468 1.092 -3.295 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.180 0.391 -2.121 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -3.550 -3.117 0.831 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.915 -4.074 1.635 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -3.632 -5.175 2.109 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -4.985 -5.316 1.802 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -5.629 -4.351 1.031 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -4.919 -3.247 0.554 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 1 25 ATOM 24 C LIG 1 -4.236 2.019 -0.067 0.00 0.00 +0.242 C ATOM 25 N LIG 1 -2.977 1.502 0.118 0.00 0.00 -0.265 N ATOM 26 H LIG 1 -2.194 2.136 0.117 0.00 0.00 +0.157 HD ATOM 27 O LIG 1 -5.294 1.421 -0.214 0.00 0.00 -0.270 OA BRANCH 24 30 ATOM 28 C LIG 1 -3.553 5.824 0.460 0.00 0.00 +0.035 C ATOM 29 C LIG 1 -3.466 4.335 0.548 0.00 0.00 -0.025 C ATOM 30 C LIG 1 -4.258 3.509 -0.154 0.00 0.00 +0.063 C ENDBRANCH 24 30 ENDBRANCH 1 25 BRANCH 4 31 ATOM 31 N LIG 1 2.407 -0.251 0.763 0.00 0.00 -0.299 N ATOM 32 H LIG 1 3.044 -0.900 0.309 0.00 0.00 +0.150 HD ATOM 33 C LIG 1 2.890 0.805 1.495 0.00 0.00 +0.245 C ATOM 34 O LIG 1 2.190 1.455 2.264 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 4.332 1.128 1.325 0.00 0.00 +0.037 A ATOM 36 C LIG 1 5.016 0.858 0.131 0.00 0.00 +0.025 A ATOM 37 C LIG 1 6.378 1.183 0.001 0.00 0.00 +0.056 A ATOM 38 C LIG 1 7.035 1.802 1.076 0.00 0.00 +0.012 A ATOM 39 C LIG 1 6.352 2.085 2.259 0.00 0.00 +0.001 A ATOM 40 C LIG 1 5.003 1.753 2.382 0.00 0.00 +0.013 A BRANCH 37 41 ATOM 41 C LIG 1 7.108 0.916 -1.293 0.00 0.00 +0.417 C ATOM 42 F LIG 1 6.627 -0.170 -1.958 0.00 0.00 -0.166 F ATOM 43 F LIG 1 8.439 0.685 -1.117 0.00 0.00 -0.166 F ATOM 44 F LIG 1 7.018 1.960 -2.161 0.00 0.00 -0.166 F ENDBRANCH 37 41 ENDBRANCH 33 35 ENDBRANCH 4 31 BRANCH 6 45 ATOM 45 C LIG 1 -0.549 -3.881 -0.675 0.00 0.00 +0.112 C ATOM 46 C LIG 1 -0.507 -3.690 -2.186 0.00 0.00 +0.025 C ENDBRANCH 6 45 TORSDOF 8